(4-ethylphenyl)-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-ethylphenyl)-[4-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-ethylphenyl)-[4-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]methanone CAS Name: (4-ethylphenyl)-[4-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-ethylphenyl)-[4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone Traditional Name: (4-ethylphenyl)-[4-(2-methyl-5-piperidinosulfonyl-benzoyl)piperazino]methanone Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C26H33N3O4S/c1-3-21-8-10-22(11-9-21)25(30)27-15-17-28(18-16-27)26(31)24-19-23(12-7-20(24)2)34(32,33)29-13-5-4-6-14-29/h7-12,19H,3-6,13-18H2,1-2H3